xrd_operando

A set of scripts for constructing diffractograms taken in the operando mode during charge-discharge of the electrode material.
XRD_operando_many_colorbar.py is designed to plot X-ray diffraction versus material charge-discharge degree with separate colorbars for selected 2-Theta angle ranges.
XRD_operando_one_colorbar.py is designed to plot X-ray diffraction versus charge-discharge degree of a material with a common colorbar for selected ranges of 2-Theta angles.

Usage

Execute the script in the catalog with X-ray diffraction data and with galvanostatic cycling data. You must first specify the registration time for one diffraction pattern in seconds (Example: time_step_xrd=1140). For XRD_operando_one_colorbar.py, you additionally need to specify in the data_import_txt() function the maximum intensity above which values will be ignored (Example: const=900).
X-ray diffraction data must be passed to the data_import_txt() function, and the results of galvanostatic cycling to the data_import_txt_charge(filename) function:

python XRD_operando_many_colorbar.py
python XRD_operando_one_colorbar.py

An example of data to be processed is located in the "Data" directory.

Example 1 – XRD_operando_many_colorbar.py

Example 2 – XRD_operando_one_colorbar.py

An example of an electrochemical cell for X-ray diffraction operando

Rybakov K. S., Ushakov A. V. Application of operando X-ray diffraction to evaluate phase transformations of a LiCoVO4 cathode // Electrochemical Energetics. 2022. Vol. 22, No. 4, PP. 161-169
DOI: 10.18500/1608-4039-2022-22-4-161-169

Contributors

Rybakov Kirill (Saratov State University): [email protected]